5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C108H127N13S2 — CID 157370457

About 5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 157370457) has the molecular formula C108H127N13S2 and a molecular weight of 1671.43 g/mol. Its IUPAC name is 5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 157370457
• Molecular Formula: C108H127N13S2
• Molecular Weight: 1671.43 g/mol
• Exact Mass: 1669.98
• IUPAC Name: 5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)nc1.Cc1ccc2c(c1)c1c(n2CCc2cccc(C)n2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCc2cccc(N(C)C)c2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCc2csc3ccccc23)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCc2sccc2C)CCN(C)C1
• InChI: InChI=1S/C23H29N3.C23H24N2S.2C21H25N3.C20H24N2S/c1-17-8-9-22-20(14-17)21-16-25(4)12-11-23(21)26(22)13-10-18-6-5-7-19(15-18)24(2)3;1-16-7-8-21-19(13-16)20-14-24(2)11-10-22(20)25(21)12-9-17-15-26-23-6-4-3-5-18(17)23;1-15-5-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-4-16(2)13-22-17;1-15-7-8-20-18(13-15)19-14-23(3)11-10-21(19)24(20)12-9-17-6-4-5-16(2)22-17;1-14-4-5-18-16(12-14)17-13-21(3)9-6-19(17)22(18)10-7-20-15(2)8-11-23-20/h5-9,14-15H,10-13,16H2,1-4H3;3-8,13,15H,9-12,14H2,1-2H3;4-7,12-13H,8-11,14H2,1-3H3;4-8,13H,9-12,14H2,1-3H3;4-5,8,11-12H,6-7,9-10,13H2,1-3H3
• InChIKey: BJRUWBOCZFMIAM-UHFFFAOYSA-N
• XLogP: 21.96
• TPSA: 69.87 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1671.43
LogP ≤ 5	21.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 157370457) is 5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)nc1.Cc1ccc2c(c1)c1c(n2CCc2cccc(C)n2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCc2cccc(N(C)C)c2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCc2csc3ccccc23)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCc2sccc2C)CCN(C)C1.

What is the InChIKey of 5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is BJRUWBOCZFMIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3.C23H24N2S.2C21H25N3.C20H24N2S/c1-17-8-9-22-20(14-17)21-16-25(4)12-11-23(21)26(22)13-10-18-6-5-7-19(15-18)24(2)3;1-16-7-8-21-19(13-16)20-14-24(2)11-10-22(20)25(21)12-9-17-15-26-23-6-4-3-5-18(17)23;1-15-5-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-4-16(2)13-22-17;1-15-7-8-20-18(13-15)19-14-23(3)11-10-21(19)24(20)12-9-17-6-4-5-16(2)22-17;1-14-4-5-18-16(12-14)17-13-21(3)9-6-19(17)22(18)10-7-20-15(2)8-11-23-20/h5-9,14-15H,10-13,16H2,1-4H3;3-8,13,15H,9-12,14H2,1-2H3;4-7,12-13H,8-11,14H2,1-3H3;4-8,13H,9-12,14H2,1-3H3;4-5,8,11-12H,6-7,9-10,13H2,1-3H3.

What are the key properties of 5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1671.43 g/mol, XLogP of 21.96, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(1-benzothiophen-3-yl)ethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;3-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-(5-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(6-methyl-2-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 157370457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).